Geometry & MOs

Info

ID:	237981
PubChem CID:	92723393
Reduced:	SN4O4C22H26 (1)
Stoich.:	AB4C4D22E26 (1)
Weight, g/mol:	457.167142
ΔH_f, kcal/mol:	-121.83
Dipole, Da:	8.29
IP(EA), eV:	-9.5(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations