Geometry & MOs

Info

ID:	234072
PubChem CID:	92297666
Reduced:	SO4N6C28H34 (1)
Stoich.:	AB4C6D28E34 (1)
Weight, g/mol:	345.078327
ΔH_f, kcal/mol:	-93.44
Dipole, Da:	3.05
IP(EA), eV:	-8.26(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S,5R)-5-cyano-6-oxo-4-[(2S)-1-oxo-1-phenylpropan-2-yl]-2-sulfanylidene-1,3-diazinane-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N([C@@H](C2=CC=C(C=C2)N(C)C)C(=O)NC[C@@H]3CCCO3)C(=O)C4=C(C(=NS4)C(=O)N)N)C

DOS

IR

Vibrations