Geometry & MOs

Info

ID:	65677
PubChem CID:	46386742
Reduced:	O2N4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	374.120132
ΔH_f, kcal/mol:	27.14
Dipole, Da:	2.55
IP(EA), eV:	-8.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylsulfanylphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N2)C3=CN=CC=C3)NC(=O)NCC4=CC=CO4

DOS

IR

Vibrations