Geometry & MOs

Info

ID:

443498

PubChem CID:

135259198

Reduced:

SO4N6C25H30 (1)

Stoich.:

AB4C6D25E30 (1)

Weight, g/mol:

459.113188

ΔHf, kcal/mol:

-115.59

Dipole, Da:

4.01

IP(EA), eV:

 -8.8(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[(E)-4-[(6-chloroquinazolin-4-yl)amino]pent-3-en-2-ylidene]-2,8-dioxo-8lambda4-thia-1,4-diazaspiro[4.5]decane-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C(=C(SC5=NC=N4)C(=O)N(C)CCOC)C)CCCCC3

DOS

IR

Vibrations