Geometry & MOs

Info

ID:	33513
PubChem CID:	7886796
Reduced:	O2S2N4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-65.97
Dipole, Da:	4.97
IP(EA), eV:	-8.9(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylsulfanylethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC1CCCCC1)SC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations