Geometry & MOs

Info

ID:

421918

PubChem CID:

135116839

Reduced:

N5C11H15 (1)

Stoich.:

A5B11C15 (1)

Weight, g/mol:

723.260581

ΔHf, kcal/mol:

60.15

Dipole, Da:

2.56

IP(EA), eV:

 -9.0(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-(2-chlorobenzoyl)-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

CC1=CC(=NC(=N1)N(C)CC2=CC=NN2)C

DOS

IR

Vibrations