Geometry & MOs

Info

ID:	34626
PubChem CID:	7978749
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	375.109817
ΔH_f, kcal/mol:	-130.55
Dipole, Da:	6.54
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations