Geometry & MOs

Info

ID:	271760
PubChem CID:	103691099
Reduced:	NSF2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-192.48
Dipole, Da:	5.49
IP(EA), eV:	-9.5(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)C2=CC=CC=C2SC(F)F

DOS

IR

Vibrations