Geometry & MOs

Info

ID:	12842
PubChem CID:	146648
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-67.18
Dipole, Da:	3.08
IP(EA), eV:	-8.2(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-6-methylsulfanyl-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N3CC=CC3C(N2)SC)OC

DOS

IR

Vibrations