Geometry & MOs

Info

ID:	120740
PubChem CID:	50742827
Reduced:	N4O4C27H30 (1)
Stoich.:	A4B4C27D30 (1)
Weight, g/mol:	550.188606
ΔH_f, kcal/mol:	-134.27
Dipole, Da:	3.61
IP(EA), eV:	-9.29(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide

Drug info:

PubChemData

Smile

CNC(=O)CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NCCC4=CCCCC4

DOS

IR

Vibrations