Geometry & MOs

Info

ID:	41834
PubChem CID:	8147212
Reduced:	NSO2H13C18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	390.164009
ΔH_f, kcal/mol:	9.62
Dipole, Da:	2.44
IP(EA), eV:	-8.73(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-oxo-1H-quinazolin-2-yl)methyl-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations