Geometry & MOs

Info

ID:	323192
PubChem CID:	126673385
Reduced:	ClSN2O4H15C20 (1)
Stoich.:	ABC2D4E15F20 (1)
Weight, g/mol:	391.129884
ΔH_f, kcal/mol:	-82.14
Dipole, Da:	2.67
IP(EA), eV:	-9.25(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoyl]amino]-3-cyclohexa-1,5-dien-1-ylpropanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C2=CN(C(=O)C=C2C=CC(=O)O)C)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations