Geometry & MOs

Info

ID:	68320
PubChem CID:	46508185
Reduced:	S2O3N4H16C17 (1)
Stoich.:	A2B3C4D16E17 (1)
Weight, g/mol:	376.093833
ΔH_f, kcal/mol:	-12.31
Dipole, Da:	6.74
IP(EA), eV:	-9.01(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 3-(carbamoylamino)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C

DOS

IR

Vibrations