Geometry & MOs

Info

ID:	237982
PubChem CID:	92723396
Reduced:	SN3O5C23H27 (1)
Stoich.:	AB3C5D23E27 (1)
Weight, g/mol:	457.167142
ΔH_f, kcal/mol:	-170.56
Dipole, Da:	7.8
IP(EA), eV:	-8.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(4-methoxyphenyl)-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

DOS

IR

Vibrations