Geometry & MOs

Info

ID:	433337
PubChem CID:	135173474
Reduced:	SN4O4C30H34 (1)
Stoich.:	AB4C4D30E34 (1)
Weight, g/mol:	198.173213
ΔH_f, kcal/mol:	-106.12
Dipole, Da:	3.88
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-3-[3-(methylamino)prop-1-en-2-ylamino]pentan-2-one

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)C4(CCCC4)N5CC6=CC=CC=C6C5O)O

DOS

IR

Vibrations