Geometry & MOs

Info

ID:	392855
PubChem CID:	135018191
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	389.16608
ΔH_f, kcal/mol:	-86.55
Dipole, Da:	4.29
IP(EA), eV:	-9.48(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-4,5-bis(4-methoxyphenyl)-1-methylsulfonylazepane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H](CN2C1C3=CC=CC=C3C2=O)C4=CC=CC=C4

DOS

IR

Vibrations