Geometry & MOs

Info

ID:	162460
PubChem CID:	57394731
Reduced:	SN2O5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	409.109627
ΔH_f, kcal/mol:	-162.76
Dipole, Da:	6.05
IP(EA), eV:	-9.61(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-3-[2-[(E)-3-(1H-pyrrol-2-yl)prop-2-enoyl]phenyl]urea

Drug info:

PubChemData

Smile

CC(C)CCN([C@H](C(C)O)C(=O)NO)S(=O)(=O)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations