Geometry & MOs

Info

ID:	235961
PubChem CID:	92711187
Reduced:	SN3O4H19C24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	-72.4
Dipole, Da:	11.45
IP(EA), eV:	-8.76(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CC3=C(C=C(C(=O)N3)C(=O)NC4=NC5=CC=CC=C5S4)C(=O)C2

DOS

IR

Vibrations