Geometry & MOs

Info

ID:	165369
PubChem CID:	74541298
Reduced:	ClO2N5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	44.84
Dipole, Da:	5.7
IP(EA), eV:	-8.92(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylphenyl)sulfanyl-N-methyl-N-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N(C)CC3=NC(=O)C4C=CC=CC4=N3)C)Cl

DOS

IR

Vibrations