Geometry & MOs

Info

ID:	195460
PubChem CID:	78688217
Reduced:	SN4O5C14H16 (1)
Stoich.:	AB4C5D14E16 (1)
Weight, g/mol:	411.190654
ΔH_f, kcal/mol:	-131.33
Dipole, Da:	1.85
IP(EA), eV:	-9.4(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(4-oxo-4aH-quinazolin-2-yl)butanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC)OC(=O)CCC1=NC(=NO1)C2=CC=CS2

DOS

IR

Vibrations