Geometry & MOs

Info

ID:	217767
PubChem CID:	85088356
Reduced:	N5O6C17H29 (1)
Stoich.:	A5B6C17D29 (1)
Weight, g/mol:	397.188923
ΔH_f, kcal/mol:	-223.15
Dipole, Da:	7.61
IP(EA), eV:	-10.0(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-ethoxy-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)CO)OCOCCCCCCN=[N+]=[N-]

DOS

IR

Vibrations