Geometry & MOs

Info

ID:	174813
PubChem CID:	75819204
Reduced:	ON5C18H32 (1)
Stoich.:	AB5C18D32 (1)
Weight, g/mol:	403.129884
ΔH_f, kcal/mol:	18.86
Dipole, Da:	3.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.838564
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[4-[1-(2-chlorophenyl)ethylcarbamoylamino]phenyl]acetyl]amino]acetate

Drug info:

PubChemData

Smile

CCC1(CC1C(=O)N2CCC(CC2)N3C=C(N=N3)C[NH+](C)C)CC

DOS

IR

Vibrations