Geometry & MOs

Info

ID:	171452
PubChem CID:	75378912
Reduced:	NSO2C15H25 (1)
Stoich.:	ABC2D15E25 (1)
Weight, g/mol:	305.020117
ΔH_f, kcal/mol:	-58.47
Dipole, Da:	3.35
IP(EA), eV:	-8.77(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiadiazol-4-yl)methyl]-3-(difluoromethoxy)-2-methylaniline

Drug info:

PubChemData

Smile

CC1CC(CC(C1)CCS(=O)CC2=CC(=NO2)C)C

DOS

IR

Vibrations