Geometry & MOs

Info

ID:	64652
PubChem CID:	29203774
Reduced:	SN3O7H21C22 (1)
Stoich.:	AB3C7D21E22 (1)
Weight, g/mol:	473.177313
ΔH_f, kcal/mol:	-141.69
Dipole, Da:	9.3
IP(EA), eV:	-9.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=N/OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CO2)/C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations