Geometry & MOs

Info

ID:	61610
PubChem CID:	26710928
Reduced:	F2N2O5C20H20 (1)
Stoich.:	A2B2C5D20E20 (1)
Weight, g/mol:	480.153049
ΔH_f, kcal/mol:	-171.39
Dipole, Da:	7.95
IP(EA), eV:	-9.25(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(CC2=CC(=C(C=C2)OC(F)F)OC)C3CC3)[N+](=O)[O-]

DOS

IR

Vibrations