Geometry & MOs

Info

ID:	184187
PubChem CID:	77126434
Reduced:	SO2N3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	297.093583
ΔH_f, kcal/mol:	-23.55
Dipole, Da:	4.76
IP(EA), eV:	-8.43(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(aminomethyl)phenyl]sulfanylmethyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C(=NO)N)C(=O)NC1=CSC=C1

DOS

IR

Vibrations