Geometry & MOs

Info

ID:	179442
PubChem CID:	76483637
Reduced:	I2C7H12 (1)
Stoich.:	A2B7C12 (1)
Weight, g/mol:	541.266225
ΔH_f, kcal/mol:	-2.85
Dipole, Da:	3.98
IP(EA), eV:	-8.83(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[1-[(2,4-diamino-4-oxobutanoyl)-phenylmethoxycarbonylamino]-2-hydroxy-4-phenylbutyl]-2-methylpyrrolidin-1-ium-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCCCC1I)I

DOS

IR

Vibrations