Geometry & MOs

Info

ID:	146963
PubChem CID:	53776815
Reduced:	FN3O4C25H32 (1)
Stoich.:	AB3C4D25E32 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-115.06
Dipole, Da:	4.07
IP(EA), eV:	-9.12(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-2-benzyl-4-[(2-ethylbenzoyl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@H](CN1C(=O)COC2=C(C=C(C=C2)C(C)(C)C)[N+](=O)[O-])C)CC3=CC=C(C=C3)F

DOS

IR

Vibrations