Geometry & MOs

Info

ID:	166144
PubChem CID:	74642696
Reduced:	SO2N3C25H27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	402.134635
ΔH_f, kcal/mol:	3.57
Dipole, Da:	5.91
IP(EA), eV:	-7.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC=C2C=CC(=O)NCC3=CC=C(C=C3)N4CCCC4

DOS

IR

Vibrations