Geometry & MOs

Info

ID:	13978
PubChem CID:	401244
Reduced:	O2S2N3C19H25 (1)
Stoich.:	A2B2C3D19E25 (1)
Weight, g/mol:	391.138819
ΔH_f, kcal/mol:	-26.47
Dipole, Da:	5.09
IP(EA), eV:	-8.73(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-1-[(2S)-2-[bis(methylsulfanyl)methylideneamino]pent-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H](N(C(=O)N1C)C(=O)[C@H](CC=C)N=C(SC)SC)C2=CC=CC=C2

DOS

IR

Vibrations