Geometry & MOs

Info

ID:	314977
PubChem CID:	126624077
Reduced:	SO3N4C27H38 (1)
Stoich.:	AB3C4D27E38 (1)
Weight, g/mol:	441.208613
ΔH_f, kcal/mol:	-106.86
Dipole, Da:	5.15
IP(EA), eV:	-8.26(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CN2CCC3=C(C2=O)C(=C(S3)N(C)C4CCC(CC4)N5CC(C5)OC)C)C

DOS

IR

Vibrations