Geometry & MOs

Info

ID:

190204

PubChem CID:

77967967

Reduced:

SN6O8C35H48 (1)

Stoich.:

AB6C8D35E48 (1)

Weight, g/mol:

730.335998

ΔHf, kcal/mol:

-306.64

Dipole, Da:

9.91

IP(EA), eV:

 -9.96(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-(butan-2-ylsulfonylcarbamoyl)-18-[(4-carbamoylbenzoyl)amino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C)S(=O)(=O)NC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)N2)NC(=O)C4=CC=CC(=C4)C#N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations