Geometry & MOs

Info

ID:

189130

PubChem CID:

77820579

Reduced:

S2N5O7C34H45 (1)

Stoich.:

A2B5C7D34E45 (1)

Weight, g/mol:

695.33527

ΔHf, kcal/mol:

-241.61

Dipole, Da:

6.87

IP(EA), eV:

 -9.04(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-2-[2-[1-[2-[5-(1-methoxyisoquinolin-7-yl)pent-4-enylcarbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide

Drug info:

PubChemData

Smile

CCC1CSC(=N1)C2=C(C=C(C=C2)C)NC(=O)OC3CC4C(C3)C(=O)N(CCCCC=CC5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C

DOS

IR

Vibrations