Geometry & MOs

Info

ID:	241038
PubChem CID:	93621318
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	335.103669
ΔH_f, kcal/mol:	-82.02
Dipole, Da:	2.53
IP(EA), eV:	-9.67(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(2-chlorophenyl)methyl]-6-oxopyridin-3-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC[C@@H]2C3=CC=NC=C3)S(=O)(=O)C

DOS

IR

Vibrations