Geometry & MOs

Info

ID:	189025
PubChem CID:	77805035
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	602.241687
ΔH_f, kcal/mol:	10.74
Dipole, Da:	5.63
IP(EA), eV:	-8.36(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[benzyl-(2-hydroxy-3-oxo-3-phenylmethoxypropyl)carbamoyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=C(C=CC(=C4)OC)OC)C=C2)CC5CCOC5

DOS

IR

Vibrations