Geometry & MOs

Info

ID:

185754

PubChem CID:

77344134

Reduced:

S2N7O7C27H33 (1)

Stoich.:

A2B7C7D27E33 (1)

Weight, g/mol:

518.208673

ΔHf, kcal/mol:

-264.35

Dipole, Da:

7.65

IP(EA), eV:

 -8.63(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-amino-3-(6-tert-butylsulfonyl-6-prop-1-enoxycarbonylcyclohexa-2,4-dien-1-yl)propanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CN(C(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(=O)C1=CC=CC=C1S)C(=O)C2=CC=CC=C2S

DOS

IR

Vibrations