Geometry & MOs

Info

ID:	172735
PubChem CID:	75545318
Reduced:	FN4O4C27H39 (1)
Stoich.:	AB4C4D27E39 (1)
Weight, g/mol:	524.245727
ΔH_f, kcal/mol:	-261.68
Dipole, Da:	4.97
IP(EA), eV:	-8.81(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C3CCCCC3C(=O)N(C2=O)CCCCC(=O)NCCC(C)C)F

DOS

IR

Vibrations