Geometry & MOs

Info

ID:	342111
PubChem CID:	127264824
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	371.119129
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	4.5
IP(EA), eV:	-9.22(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-[3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CC=CCCNC(=O)N1CCC(CC1)CC(=O)N(C)C

DOS

IR

Vibrations