Geometry & MOs

Info

ID:	185186
PubChem CID:	77267469
Reduced:	N3O5C11H17 (1)
Stoich.:	A3B5C11D17 (1)
Weight, g/mol:	343.082265
ΔH_f, kcal/mol:	-198.64
Dipole, Da:	8.17
IP(EA), eV:	-9.81(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-acetyloxyethoxycarbonylamino)-3-(4-chlorophenyl)butanoic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2C3C(C(O2)(CO3)CN)O

DOS

IR

Vibrations