Geometry & MOs

Info

ID:	333194
PubChem CID:	127251742
Reduced:	FS2O3N5C18H18 (1)
Stoich.:	AB2C3D5E18F18 (1)
Weight, g/mol:	422.243024
ΔH_f, kcal/mol:	-75.82
Dipole, Da:	5.29
IP(EA), eV:	-8.85(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(C2)C3=CC(=NN3)C(=O)NC4=NC=CS4)F

DOS

IR

Vibrations