Geometry & MOs

Info

ID:	401339
PubChem CID:	135050989
Reduced:	SN3O9C18H27 (1)
Stoich.:	AB3C9D18E27 (1)
Weight, g/mol:	226.125218
ΔH_f, kcal/mol:	-381.14
Dipole, Da:	6.83
IP(EA), eV:	-8.34(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-2-cyano-3-(dipropylamino)prop-2-enethioamide

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\C)/N)/C(=S)NN[C@@H]1[C@H](C([C@@H](CO1)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations