Geometry & MOs

Info

ID:

314985

PubChem CID:

126624108

Reduced:

SN4O4C30H46 (1)

Stoich.:

AB4C4D30E46 (1)

Weight, g/mol:

526.297762

ΔHf, kcal/mol:

-148.05

Dipole, Da:

1.04

IP(EA), eV:

 -8.61(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[[4-(3-ethoxyazetidin-1-yl)cyclohexyl]-methylamino]-3-methyl-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N2CC(C2)OC)C3=C(C(=C(S3)CCNCC4=C(N=C(C=C4C)C)OC)C(=O)OC)C

DOS

IR

Vibrations