Geometry & MOs

Info

ID:	33592
PubChem CID:	7887103
Reduced:	O2S2N4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-28.29
Dipole, Da:	3.03
IP(EA), eV:	-8.42(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@@H](C)C(=O)NC3=CC=C(C=C3)NC(=O)C)C

DOS

IR

Vibrations