Geometry & MOs

Info

ID:

148916

PubChem CID:

53788586

Reduced:

SN3H11C12 (1)

Stoich.:

AB3C11D12 (1)

Weight, g/mol:

952.421164

ΔHf, kcal/mol:

88.62

Dipole, Da:

5.91

IP(EA), eV:

 -9.51(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[[2-[4-[(4-hydroxyphenyl)methyl]phenoxy]-3-[1-methyl-2-(piperidine-1-carbonyl)indol-3-yl]-3-oxopropanoyl]amino]phenyl]-3-dodecylsulfonyl-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C2=NCCC3=CC=CC=C32

DOS

IR

Vibrations