Geometry & MOs

Info

ID:	273024
PubChem CID:	103770341
Reduced:	NSF2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	283.088081
ΔH_f, kcal/mol:	-212.25
Dipole, Da:	6.61
IP(EA), eV:	-9.17(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SCC(=O)NCC(C(F)F)O

DOS

IR

Vibrations