Geometry & MOs

Info

ID:	134724
PubChem CID:	51745499
Reduced:	N2O6C27H32 (1)
Stoich.:	A2B6C27D32 (1)
Weight, g/mol:	420.171893
ΔH_f, kcal/mol:	-170.36
Dipole, Da:	4.04
IP(EA), eV:	-8.74(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@H](C1=CC2=C(C=C1)OCO2)N(CC3=CC=CO3)C(=O)C4=CC=CO4

DOS

IR

Vibrations