Geometry & MOs

Info

ID:

326998

PubChem CID:

126688817

Reduced:

ClSO4N7C18H26 (1)

Stoich.:

ABC4D7E18F26 (1)

Weight, g/mol:

471.145551

ΔHf, kcal/mol:

-99.93

Dipole, Da:

1.71

IP(EA), eV:

 -8.35(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,6S)-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]-2-methylpropane-1-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)N[C@H]1COC2C1OC[C@H]2NC3=NC(=NC=C3Cl)NC4=CN(N=C4)C

DOS

IR

Vibrations