Geometry & MOs

Info

ID:	1402
PubChem CID:	4331
Reduced:	SN3O4C19H35 (1)
Stoich.:	AB3C4D19E35 (1)
Weight, g/mol:	401.234828
ΔH_f, kcal/mol:	-223.82
Dipole, Da:	6.12
IP(EA), eV:	-8.7(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-4-methyl-N-[4-methyl-1-[(4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxopentan-2-yl]pentanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCSC)C=O)NC(=O)C

DOS

IR

Vibrations