Geometry & MOs

Info

ID:	176461
PubChem CID:	76051662
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	327.098584
ΔH_f, kcal/mol:	-128.02
Dipole, Da:	1.53
IP(EA), eV:	-9.97(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC(C1CCCCC1)NC(=O)C2C=C3C(=NC2=O)CCCC3=O

DOS

IR

Vibrations