Geometry & MOs

Info

ID:	298847
PubChem CID:	117661681
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	681.346761
ΔH_f, kcal/mol:	-73.64
Dipole, Da:	4.77
IP(EA), eV:	-9.06(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-methyl-1-phenyl-4-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methylamino]hexan-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2C(=O)CC(C2=O)CCNC(=O)C3=C(N=NS3)C)C

DOS

IR

Vibrations