Geometry & MOs

Info

ID:

177097

PubChem CID:

76135276

Reduced:

S2N3O4H29C34 (1)

Stoich.:

A2B3C4D29E34 (1)

Weight, g/mol:

655.336984

ΔHf, kcal/mol:

-9.77

Dipole, Da:

2.0

IP(EA), eV:

 -9.16(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[3-(1H-imidazol-5-yl)-2-[[3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-6-methylheptanoate

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C=CC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations