Geometry & MOs

Info

ID:	152104
PubChem CID:	56310961
Reduced:	S2N4O5C20H24 (1)
Stoich.:	A2B4C5D20E24 (1)
Weight, g/mol:	407.130363
ΔH_f, kcal/mol:	-162.8
Dipole, Da:	0.78
IP(EA), eV:	-8.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CCS(=O)(=O)C1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations