Geometry & MOs

Info

ID:

321897

PubChem CID:

126667240

Reduced:

SO3N7C24H29 (1)

Stoich.:

AB3C7D24E29 (1)

Weight, g/mol:

533.257295

ΔHf, kcal/mol:

63.95

Dipole, Da:

7.03

IP(EA), eV:

 -8.28(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2,5,6-trimethylthieno[2,3-b]pyrrol-4-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)C(=CN2C)C3=NC(=NC=C3)NC4=CC(=C(C=C4OC)N(C)CCN(C)C)[N+](=O)[O-]

DOS

IR

Vibrations