Geometry & MOs

Info

ID:	41795
PubChem CID:	8147121
Reduced:	ClSO2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	416.175636
ΔH_f, kcal/mol:	-44.2
Dipole, Da:	3.75
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations