Geometry & MOs

Info

ID:

176277

PubChem CID:

76024445

Reduced:

S3O11N13C42H67 (1)

Stoich.:

A3B11C13D42E67 (1)

Weight, g/mol:

436.166604

ΔHf, kcal/mol:

-370.16

Dipole, Da:

11.25

IP(EA), eV:

 -8.97(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-N-[4-[N-[3-(dimethylamino)propoxy]-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=CS2)N)C(=O)N3CCCC3C(=O)NC(CCCNC(C)C)C(=O)NCC(=O)N)CC(=O)N)CC(=O)N

DOS

IR

Vibrations