Geometry & MOs

Info

ID:

448599

PubChem CID:

135292156

Reduced:

ON5C27H29 (1)

Stoich.:

AB5C27D29 (1)

Weight, g/mol:

571.261711

ΔHf, kcal/mol:

90.69

Dipole, Da:

2.71

IP(EA), eV:

 -8.8(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-but-3-enyl-N-[3-[5-cyano-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-2-cyclopropylpyridin-3-yl]phenyl]ethenesulfonamide

Drug info:

PubChemData

Smile

CCCN(CCNC(=O)C1CC1)C2=NC(=C(C=C2C#N)C3=CC=CC4=C3C=CN=C4)C5CC5

DOS

IR

Vibrations