Geometry & MOs

Info

ID:	242919
PubChem CID:	99214246
Reduced:	FNSO2C21H26 (1)
Stoich.:	ABCD2E21F26 (1)
Weight, g/mol:	357.131112
ΔH_f, kcal/mol:	-115.79
Dipole, Da:	5.42
IP(EA), eV:	-9.23(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-2-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC=C(S1)C2=CC=C(C=C2)F)C(=O)CC[C@@H]3CCCO3

DOS

IR

Vibrations