Geometry & MOs

Info

ID:	69130
PubChem CID:	46519450
Reduced:	OS2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	421.157246
ΔH_f, kcal/mol:	80.29
Dipole, Da:	4.28
IP(EA), eV:	-8.53(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(OC(=N3)C4=CC=CS4)C

DOS

IR

Vibrations