Geometry & MOs

Info

ID:	140143
PubChem CID:	52653938
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	479.171262
ΔH_f, kcal/mol:	-125.84
Dipole, Da:	6.67
IP(EA), eV:	-8.78(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)OC)OC)NC(=O)N(C)CCOC2=CC=CC=C2

DOS

IR

Vibrations