Geometry & MOs

Info

ID:	38845
PubChem CID:	8138036
Reduced:	N3O4C16H17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	4.38
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)/C=C/C(=O)NNC(=O)C2=CC=CN2)OC

DOS

IR

Vibrations