Geometry & MOs

Info

ID:	393264
PubChem CID:	135019907
Reduced:	OC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	1473.5908
ΔH_f, kcal/mol:	-129.32
Dipole, Da:	2.1
IP(EA), eV:	-9.4(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[3-[3-[(3R)-3-[(8-acetylanthracene-1-carbonyl)amino]cyclohexa-1,5-dien-1-yl]-5-(oxan-2-yloxymethyl)phenyl]phenyl]-8-N-[3-[3-[3-[(8-acetylanthracene-1-carbonyl)amino]phenyl]-5-(oxan-2-yloxymethyl)phenyl]phenyl]anthracene-1,8-dicarboxamide

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

C[C@@H]1CCC(C(=O)C1)(C)OC(C)(C)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

C[C@@H]1CCC(C(=O)C1)(C)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):