Geometry & MOs

Info

ID:	299589
PubChem CID:	117688068
Reduced:	O2F3N3H10C13 (1)
Stoich.:	A2B3C3D10E13 (1)
Weight, g/mol:	667.264213
ΔH_f, kcal/mol:	-159.87
Dipole, Da:	10.02
IP(EA), eV:	-9.7(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-phenylbenzoyl)amino]-3-[[2-[1-phenylmethoxycarbonyloxy-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1C(=O)N=C2C(=C(NN2)C3=CC=CC=C3)[C@]1(C(F)(F)F)O

DOS

IR

Vibrations