Geometry & MOs

Info

ID:	134735
PubChem CID:	51747839
Reduced:	SN2O3C32H38 (1)
Stoich.:	AB2C3D32E38 (1)
Weight, g/mol:	480.175264
ΔH_f, kcal/mol:	-82.16
Dipole, Da:	2.08
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-ethyl-2-[furan-2-ylmethyl(3-sulfanylpropanoyl)amino]-N-[(4-methylphenyl)sulfonylmethyl]pentanamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@H](C1=CC2=CC=CC=C2C3=CC=CC=C31)N(CC4=CC=CO4)C(=O)CCS

DOS

IR

Vibrations