Geometry & MOs

Info

ID:

414780

PubChem CID:

135087743

Reduced:

ON2C10H10 (2)

Stoich.:

AB2C10D10 (2)

Weight, g/mol:

735.341418

ΔHf, kcal/mol:

21.59

Dipole, Da:

5.57

IP(EA), eV:

 -8.16(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[(2,6-dimethoxyphenyl)methyl]-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CNC(=O)CC2=CC3=C(C=C2)N(C4=CC=CC=C43)C

DOS

IR

Vibrations