Geometry & MOs

Info

ID:

436053

PubChem CID:

135193579

Reduced:

FON2C15H19 (2)

Stoich.:

ABC2D15E19 (2)

Weight, g/mol:

608.317412

ΔHf, kcal/mol:

-142.48

Dipole, Da:

6.22

IP(EA), eV:

 -8.48(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[3-aminopropyl-[[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethyl]amino]-2-oxoethyl]amino]-3-methyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC(=O)NCC(=O)N(CCCN)C(C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)C(C)(C)C

DOS

IR

Vibrations