Geometry & MOs

Info

ID:

435542

PubChem CID:

135191774

Reduced:

SN2O5C23H32 (1)

Stoich.:

AB2C5D23E32 (1)

Weight, g/mol:

644.267108

ΔHf, kcal/mol:

-231.57

Dipole, Da:

4.31

IP(EA), eV:

 -8.54(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1CCC(CC1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C4CCCCC4C(=O)O

DOS

IR

Vibrations