Geometry & MOs

Info

ID:

297672

PubChem CID:

117625251

Reduced:

O4N5C21H25 (1)

Stoich.:

A4B5C21D25 (1)

Weight, g/mol:

748.225753

ΔHf, kcal/mol:

-69.26

Dipole, Da:

3.93

IP(EA), eV:

 -8.72(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3S)-4-(4-chlorophenyl)-3-[[4-[(2,4-dimethoxyphenyl)methyl-(2-methyltetrazol-5-yl)sulfamoyl]-2,5-difluorophenoxy]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=C/C(=C\2/NNC(=O)N2C3=CN=C(C=C3)N4CCOCC4)/C(=CC1=O)OC

DOS

IR

Vibrations