Geometry & MOs

Info

ID:

188553

PubChem CID:

77732507

Reduced:

SO2F3N3C23H28 (1)

Stoich.:

AB2C3D3E23F28 (1)

Weight, g/mol:

684.378789

ΔHf, kcal/mol:

-207.5

Dipole, Da:

6.01

IP(EA), eV:

 -9.2(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

naphthalen-1-ylmethanamine;5-(5,6,7,8-tetrahydroquinolin-8-ylamino)-2-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1C2C(C(=C(C1C3=CC4=C(S3)CCCC4C(C)N)F)C(F)F)C(=O)NC(=O)N2C5CC5

DOS

IR

Vibrations