Geometry & MOs

Info

ID:	244435
PubChem CID:	99350823
Reduced:	SO2N4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-16.44
Dipole, Da:	7.19
IP(EA), eV:	-7.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)NC[C@@H]3CCN(C3)C4=CC=CC=C4OC

DOS

IR

Vibrations