Geometry & MOs

Info

ID:	302471
PubChem CID:	124361880
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	352.117155
ΔH_f, kcal/mol:	-53.95
Dipole, Da:	1.52
IP(EA), eV:	-8.41(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)NC(=O)[C@H]3CC4=CC=CC=C4CN3

DOS

IR

Vibrations