Geometry & MOs

Info

ID:

417994

PubChem CID:

135103284

Reduced:

OS2N5C16H21 (1)

Stoich.:

AB2C5D16E21 (1)

Weight, g/mol:

613.383934

ΔHf, kcal/mol:

28.16

Dipole, Da:

3.13

IP(EA), eV:

 -9.06(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(8S,12R,15S,18S,20R)-8-[(4-hydroxyphenyl)methyl]-12-methyl-2,7,10,17-tetraoxo-15-propan-2-yl-1,6,9,16-tetrazabicyclo[16.3.0]henicosan-20-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCC1=NN2C(=O)C=C(N=C2S1)CN(C)C(C)C3=C(SC(=N3)C)C

DOS

IR

Vibrations