Geometry & MOs

Info

ID:	77411
PubChem CID:	48429116
Reduced:	FO2S2N3C18H20 (1)
Stoich.:	AB2C2D3E18F20 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-68.03
Dipole, Da:	7.61
IP(EA), eV:	-8.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-[3-(methanesulfonamido)-4-methylphenyl]butanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)SCC(=O)N2CCCN(CC2)C3=NC=CS3)F

DOS

IR

Vibrations