Geometry & MOs

Info

ID:	303556
PubChem CID:	124489900
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	435.179421
ΔH_f, kcal/mol:	-158.95
Dipole, Da:	4.51
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NC(=O)CCN1C=C(C2=CC=CC=C21)C(=O)C

DOS

IR

Vibrations