Geometry & MOs

Info

ID:	244045
PubChem CID:	99309508
Reduced:	ClO3N4C27H31 (1)
Stoich.:	AB3C4D27E31 (1)
Weight, g/mol:	495.163948
ΔH_f, kcal/mol:	-74.77
Dipole, Da:	5.14
IP(EA), eV:	-8.91(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3CCN(CC3)C(=O)CC4=CC(=CC=C4)OC)Cl

DOS

IR

Vibrations