Geometry & MOs

Info

ID:	237979
PubChem CID:	92723380
Reduced:	SN3O4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	433.203528
ΔH_f, kcal/mol:	-170.01
Dipole, Da:	5.82
IP(EA), eV:	-9.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)CCC2

DOS

IR

Vibrations