Geometry & MOs

Info

ID:	122049
PubChem CID:	50791012
Reduced:	SN3O3C25H29 (1)
Stoich.:	AB3C3D25E29 (1)
Weight, g/mol:	485.177313
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	3.39
IP(EA), eV:	-8.53(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[(4-methoxyphenyl)methyl]-10-methyl-3-oxo-5H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1C2=C(N(C3=CC=CC=C32)C)SCC(=O)N1C4=CC=C(C=C4)OC

DOS

IR

Vibrations