Geometry & MOs

Info

ID:	242739
PubChem CID:	99205959
Reduced:	BrSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	434.06636
ΔH_f, kcal/mol:	-66.07
Dipole, Da:	9.12
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@@H](C)NC(=O)CSCC(=O)NC2=CC(=CC=C2)Br

DOS

IR

Vibrations