Geometry & MOs

Info

ID:	194773
PubChem CID:	78588305
Reduced:	SN2O4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-161.82
Dipole, Da:	7.05
IP(EA), eV:	-8.46(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylpropylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(CCSC)C(=O)OCC(=O)NC

DOS

IR

Vibrations