Geometry & MOs

Info

ID:	192736
PubChem CID:	78307136
Reduced:	OS2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	429.154469
ΔH_f, kcal/mol:	31.88
Dipole, Da:	7.35
IP(EA), eV:	-8.41(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)-1-(thiophen-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CCCCNC(=S)N(CC1C=C2C=CC=C(C2=NC1=O)C)CC3=CC=CS3

DOS

IR

Vibrations