Geometry & MOs

Info

ID:

421124

PubChem CID:

135115407

Reduced:

N3O3C17H23 (1)

Stoich.:

A3B3C17D23 (1)

Weight, g/mol:

707.310118

ΔHf, kcal/mol:

-100.12

Dipole, Da:

3.95

IP(EA), eV:

 -9.18(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-(2,5-dimethylfuran-3-carbonyl)-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(=CC(=C1OC)C)C(=O)N(CCO)CC2=C(NC=N2)C

DOS

IR

Vibrations