Geometry & MOs

Info

ID:	17412
PubChem CID:	496592
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-121.61
Dipole, Da:	4.89
IP(EA), eV:	-8.65(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methylsulfanyl-2-(1-phenylethylcarbamoylamino)butanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)NC(CCSC)C(=O)OC

DOS

IR

Vibrations