Geometry & MOs

Info

ID:

337536

PubChem CID:

127258159

Reduced:

S2O13N14C48H66 (1)

Stoich.:

A2B13C14D48E66 (1)

Weight, g/mol:

297.103479

ΔHf, kcal/mol:

-516.86

Dipole, Da:

4.12

IP(EA), eV:

 -8.45(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N2)C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC4=CC=CC=C4

DOS

IR

Vibrations