Geometry & MOs

Info

ID:	1415
PubChem CID:	4365
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	324.114378
ΔH_f, kcal/mol:	-161.07
Dipole, Da:	1.22
IP(EA), eV:	-8.57(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC=O

DOS

IR

Vibrations