Geometry & MOs

Info

ID:	148052
PubChem CID:	53787714
Reduced:	SN4O4C20H22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	344.09094
ΔH_f, kcal/mol:	-118.63
Dipole, Da:	4.36
IP(EA), eV:	-8.53(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imino-4-(3-nitrophenyl)-3,4-dihydropyrano[2,3-f]isoquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(=O)NC(=NC(=O)OC)NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)C

DOS

IR

Vibrations