Geometry & MOs

Info

ID:	322571
PubChem CID:	126670551
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	1598.920799
ΔH_f, kcal/mol:	-50.1
Dipole, Da:	5.64
IP(EA), eV:	-9.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2,6-bis[5-(2-decyltetradecyl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl]thiophen-2-yl]-5-[3-(2-ethylhexoxy)propyl]-3-(2-methylbutan-2-yl)thieno[3,4-c]pyrrole-4,6-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=N[C@@H](CC=N1)/C(=C(\C=C)/N(CC(=O)O)NC)/C(=O)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=N[C@@H](CC=N1)/C(=C(\C=C)/N(CC(=O)O)NC)/C(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):