Geometry & MOs

Info

ID:

222916

PubChem CID:

85333139

Reduced:

S2N3O5H31C34 (1)

Stoich.:

A2B3C5D31E34 (1)

Weight, g/mol:

625.299714

ΔHf, kcal/mol:

-53.0

Dipole, Da:

2.57

IP(EA), eV:

 -8.21(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)CC2C(=O)N(C(S2)C3=CC(=CS3)C#CC4=CC=CC=C4)C5=CC=CC(=C5)C(=O)N)OC

DOS

IR

Vibrations