Geometry & MOs

Info

ID:	368813
PubChem CID:	127330241
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	391.135448
ΔH_f, kcal/mol:	-125.96
Dipole, Da:	2.44
IP(EA), eV:	-8.6(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CCC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations