Geometry & MOs

Info

ID:	303561
PubChem CID:	124489906
Reduced:	ClN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-124.28
Dipole, Da:	4.88
IP(EA), eV:	-8.74(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-N-(4-acetamidophenyl)-1,5-dioxo-4-propyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide

Drug info:

PubChemData

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CC[C@H](C)[C@@H](C(=O)O)NC(=O)CCN1C=CC2=C1C=CC=C2Cl

DOS

IR

Vibrations