Geometry & MOs

Info

ID:

415745

PubChem CID:

135088745

Reduced:

N2O3C17H24 (1)

Stoich.:

A2B3C17D24 (1)

Weight, g/mol:

749.320683

ΔHf, kcal/mol:

8.68

Dipole, Da:

3.32

IP(EA), eV:

 -8.76(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-(3,4-dimethoxybenzoyl)-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=C(C(=CC=C1)OC)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations