Geometry & MOs

Info

ID:	38200
PubChem CID:	8027955
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	376.11471
ΔH_f, kcal/mol:	-117.17
Dipole, Da:	1.88
IP(EA), eV:	-9.19(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethyl)phenyl]butanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCCC1)NC(=O)[C@@H]2CS[C@H]3N2C(=O)C4=CC=CC=C34

DOS

IR

Vibrations