Geometry & MOs

Info

ID:	64650
PubChem CID:	29203767
Reduced:	SN2O4H20C24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	473.177313
ΔH_f, kcal/mol:	-94.33
Dipole, Da:	2.25
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(C=C(C=C4)O)O

DOS

IR

Vibrations