Geometry & MOs

Info

ID:	303558
PubChem CID:	124489902
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	421.163771
ΔH_f, kcal/mol:	-147.76
Dipole, Da:	6.24
IP(EA), eV:	-8.59(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[(3aS)-4-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl]amino]benzoate

Drug info:

PubChemData

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CC[C@H](C)[C@@H](C(=O)O)NC(=O)CN1C=CC2=C1C=CC=C2OC

DOS

IR

Vibrations