Geometry & MOs

Info

ID:	134664
PubChem CID:	51736516
Reduced:	ClSN2O2C23H29 (1)
Stoich.:	ABC2D2E23F29 (1)
Weight, g/mol:	474.210777
ΔH_f, kcal/mol:	-90.85
Dipole, Da:	3.12
IP(EA), eV:	-9.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H](C(=O)NC(C)(C)C)N(C2=CC(=CC=C2)Cl)C(=O)CCS)C

DOS

IR

Vibrations