Geometry & MOs

Info

ID:

326974

PubChem CID:

126688784

Reduced:

NO3C14H19 (4)

Stoich.:

AB3C14D19 (4)

Weight, g/mol:

455.114251

ΔHf, kcal/mol:

-473.4

Dipole, Da:

2.67

IP(EA), eV:

 -8.0(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(CC(C1=O)OC(=O)CCCNC(=O)NCCC(=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(CC2(C)C)OC(=O)CCCNC(=O)NCCC(=O)O)C)\C)\C)/C)/C

DOS

IR

Vibrations