Geometry & MOs

Info

ID:	146505
PubChem CID:	53698943
Reduced:	N4O7C32H44 (1)
Stoich.:	A4B7C32D44 (1)
Weight, g/mol:	426.165168
ΔH_f, kcal/mol:	-261.89
Dipole, Da:	5.29
IP(EA), eV:	-9.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-3-(phenylmethoxycarbonylamino)-5-[5-[1-(1H-pyrrol-2-yl)ethyl]tetrazol-2-yl]pentanoic acid

Drug info:

PubChemData

Smile

CCCCN(C1=CC=CC(=C1)CN)C(=O)CN2C[C@@H](C([C@@H]2CCN(CC)C(=O)C)C(=O)O)C3=CC4=C(C(=C3)OC)OCO4

DOS

IR

Vibrations