Geometry & MOs

Info

ID:	328543
PubChem CID:	126724387
Reduced:	ClN3O5C23H24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-133.48
Dipole, Da:	5.76
IP(EA), eV:	-9.44(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-4-[(5-oxo-1,2-dihydro-1,2,4-triazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)CC(CC1=CC=C(C=C1)C2=CC(=CC=C2)Cl)NC(=O)C3=NC(=O)ON3

DOS

IR

Vibrations