Geometry & MOs

Info

ID:	318997
PubChem CID:	126654096
Reduced:	O3N7C31H33 (1)
Stoich.:	A3B7C31D33 (1)
Weight, g/mol:	489.110291
ΔH_f, kcal/mol:	-32.73
Dipole, Da:	1.88
IP(EA), eV:	-8.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(methoxycarbonylamino)-4-(1,3-oxazole-2-carbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2C3CCC(C3)N2C(=O)CN4C=C(C5=C4C=CC(=C5)C6=CN=C7N6CCCC7)C(=O)N

DOS

IR

Vibrations