Geometry & MOs

Info

ID:	447478
PubChem CID:	135283173
Reduced:	SO2N7C28H29 (1)
Stoich.:	AB2C7D28E29 (1)
Weight, g/mol:	514.269239
ΔH_f, kcal/mol:	50.74
Dipole, Da:	3.82
IP(EA), eV:	-8.46(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylprop-2-enylamino)ethyl N-[[4-[[4-amino-2-(oxolan-2-yl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(=C)CNCCOC(=O)NCC1=CC=C(C=C1)CN2C3=C(C(=NC4=CC=CC=C43)N)N=C2C5=NC=CS5

DOS

IR

Vibrations