Geometry & MOs

Info

ID:	187956
PubChem CID:	77647620
Reduced:	OCl2N2C15H26 (1)
Stoich.:	AB2C2D15E26 (1)
Weight, g/mol:	455.205636
ΔH_f, kcal/mol:	-102.7
Dipole, Da:	5.96
IP(EA), eV:	-9.58(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[3-ethoxy-5-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-hydroxy-4-phenylbutyl]carbamic acid

Drug info:

PubChemData

Smile

CCC1(CC1)NCC(C(CC2=CC=CC=C2)N)O.Cl.Cl

DOS

IR

Vibrations