Geometry & MOs

Info

ID:	233104
PubChem CID:	87692415
Reduced:	ClOSN6C22H35 (1)
Stoich.:	ABCD6E22F35 (1)
Weight, g/mol:	430.251481
ΔH_f, kcal/mol:	-52.97
Dipole, Da:	4.24
IP(EA), eV:	-8.33(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylbutan-2-yl)-1-sulfanylurea

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)N(C1CCC(CC1)NC2=NC3=CC=CC=C3C(=N2)N(C)C)S.Cl

DOS

IR

Vibrations