Geometry & MOs

Info

ID:

169024

PubChem CID:

75055150

Reduced:

F2N5O11C36H55 (1)

Stoich.:

A2B5C11D36E55 (1)

Weight, g/mol:

829.392093

ΔHf, kcal/mol:

-571.18

Dipole, Da:

5.52

IP(EA), eV:

 -9.23(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-2-[[6-[6-[[8,8-difluoro-4-[[2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl)acetyl]amino]-7,7-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]methyl]-2-hydroxyoxan-2-yl]-6-oxohexa-2,4-dienoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(=O)CCCC=CC=CC(=O)NC(CCCN=C(N)N)C(=O)O)(C)C)(F)F)OCO2)O)OC)C

DOS

IR

Vibrations