Geometry & MOs

Info

ID:	41461
PubChem CID:	8145922
Reduced:	SO2N6C20H26 (1)
Stoich.:	AB2C6D20E26 (1)
Weight, g/mol:	334.069989
ΔH_f, kcal/mol:	44.49
Dipole, Da:	5.81
IP(EA), eV:	-8.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NN(C(=S)N12)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

DOS

IR

Vibrations