Geometry & MOs

Info

ID:	148791
PubChem CID:	53788460
Reduced:	O2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	544.166808
ΔH_f, kcal/mol:	16.25
Dipole, Da:	6.21
IP(EA), eV:	-8.42(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C(=O)C1=CC2=C(N1)C(=CC=C2)OC3=CC=C(C=C3)N)C(=N)N

DOS

IR

Vibrations