Geometry & MOs

Info

ID:

49665

PubChem CID:

11533495

Reduced:

SN4O5H24C26 (1)

Stoich.:

AB4C5D24E26 (1)

Weight, g/mol:

504.169208

ΔHf, kcal/mol:

-38.75

Dipole, Da:

5.29

IP(EA), eV:

 -9.28(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-(furan-2-ylmethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCCCSC3=NC4=C(N3CC(=O)O)C=CC(=C4)[N+](=O)[O-]

DOS

IR

Vibrations