Geometry & MOs

Info

ID:	242756
PubChem CID:	99206116
Reduced:	OS2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	422.02998
ΔH_f, kcal/mol:	45.12
Dipole, Da:	6.51
IP(EA), eV:	-8.32(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=CNC2=S)NC(=O)CSCC3=CN=CC=C3

DOS

IR

Vibrations