Geometry & MOs

Info

ID:	192116
PubChem CID:	78230267
Reduced:	ClO4N7C23H26 (1)
Stoich.:	AB4C7D23E26 (1)
Weight, g/mol:	501.208613
ΔH_f, kcal/mol:	12.13
Dipole, Da:	8.82
IP(EA), eV:	-9.07(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-methyl-2-oxo-3H-quinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea

Drug info:

PubChemData

Smile

C1CN(CCC1C2NC3C(C(=O)N2)NNN3CC4=CC=CC=C4Cl)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations