Geometry & MOs

Info

ID:

419520

PubChem CID:

135108340

Reduced:

SN6O6C31H42 (1)

Stoich.:

AB6C6D31E42 (1)

Weight, g/mol:

378.170333

ΔHf, kcal/mol:

-231.19

Dipole, Da:

10.07

IP(EA), eV:

 -8.43(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N(CCNC(=O)COC2=CC=C(C[C@@H](C(=O)NCCCC(=O)N1)NC(=O)C3=C(N=CC=C3)SC)C=C2)C

DOS

IR

Vibrations