Geometry & MOs

Info

ID:

219857

PubChem CID:

85164968

Reduced:

NO9C33H53 (1)

Stoich.:

AB9C33D53 (1)

Weight, g/mol:

607.22736

ΔHf, kcal/mol:

-305.08

Dipole, Da:

4.65

IP(EA), eV:

 -8.69(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 5-(2,2-dimethylpropoxysulfonyl)-2-[(4-methoxyphenyl)methylsulfanyl]-3-(phenylmethoxycarbonylamino)pent-4-enoate

Drug info:

PubChemData

Smile

CCC1C(C=C(C=CC(=O)C(CC(C(C(CCC(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)OC(=O)C)CC=O)C)C)CO

DOS

IR

Vibrations