Geometry & MOs

Info

ID:

440210

PubChem CID:

135230120

Reduced:

NSO2C8H13 (1)

Stoich.:

ABC2D8E13 (1)

Weight, g/mol:

657.377786

ΔHf, kcal/mol:

-100.68

Dipole, Da:

3.15

IP(EA), eV:

-8.74(-0.56)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[4-[5-[2-(3-aminopropoxy)-4-(2-ethenyl-4-methyl-2,3-dihydropyrrole-1-carbonyl)-5-methylphenoxy]pentoxy]-5-methoxy-2-methylphenyl]-(2-ethenyl-4-methyl-2,3-dihydropyrrol-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1CC(=O)N(C1=O)SC

DOS

IR

Vibrations