Geometry & MOs

Info

ID:

222704

PubChem CID:

85330689

Reduced:

O13N26C52H100 (1)

Stoich.:

A13B26C52D100 (1)

Weight, g/mol:

402.162666

ΔHf, kcal/mol:

-605.81

Dipole, Da:

5.89

IP(EA), eV:

 -9.13(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-(1-benzothiophen-6-yl)-4-N-(5-cyclopropylpyrazolidin-3-yl)quinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations