Geometry & MOs

Info

ID:	445357
PubChem CID:	135266439
Reduced:	ON2C10H18 (1)
Stoich.:	AB2C10D18 (1)
Weight, g/mol:	834.240044
ΔH_f, kcal/mol:	-42.72
Dipole, Da:	4.26
IP(EA), eV:	-9.92(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-4-[5-[4-[4-[2-[4-(cyclohexa-1,5-dien-1-ylsulfanylamino)-3-(trifluoromethylsulfonyl)phenyl]hydrazinyl]phenyl]piperazin-1-yl]cyclohexa-1,5-dien-1-yl]-1,2-dimethylpyrrole-3-carbaldehyde

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

CC/C=C(/C=N)\C(C)(C)NC(=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

CC/C=C(/C=N)\C(C)(C)NC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):