Geometry & MOs

Info

ID:	232993
PubChem CID:	87577894
Reduced:	SO2P2H26C36 (1)
Stoich.:	AB2C2D26E36 (1)
Weight, g/mol:	230.108899
ΔH_f, kcal/mol:	40.29
Dipole, Da:	4.91
IP(EA), eV:	-8.48(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-isocyanatopropylamino)-4-methylpentanethioic S-acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C4=C(C=C3)SC5=CC=CC=C54)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations