Geometry & MOs

Info

ID:	426713
PubChem CID:	135153505
Reduced:	NO3C14H18 (2)
Stoich.:	AB3C14D18 (2)
Weight, g/mol:	311.99511
ΔH_f, kcal/mol:	-172.95
Dipole, Da:	6.48
IP(EA), eV:	-8.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-4-(difluoromethyl)thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)C2=CC=CC=C2C(=O)O)C3=C(C=C(C=C3)C(C)CC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations