Geometry & MOs

Info

ID:

422802

PubChem CID:

135118433

Reduced:

O2N3C16H20 (2)

Stoich.:

A2B3C16D20 (2)

Weight, g/mol:

721.373387

ΔHf, kcal/mol:

-137.06

Dipole, Da:

3.13

IP(EA), eV:

 -8.48(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[(3-tert-butyl-1H-pyrazol-5-yl)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

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)C5=CN=CC=C5)C(C)C

DOS

IR

Vibrations