Geometry & MOs

Info

ID:	237980
PubChem CID:	92723385
Reduced:	SN3O4C22H31 (1)
Stoich.:	AB3C4D22E31 (1)
Weight, g/mol:	442.167477
ΔH_f, kcal/mol:	-179.44
Dipole, Da:	4.53
IP(EA), eV:	-9.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

DOS

IR

Vibrations