Geometry & MOs

Info

ID:	162098
PubChem CID:	57393618
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	260.101706
ΔH_f, kcal/mol:	-31.1
Dipole, Da:	4.08
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(3-cyclohexylpropanoylamino)carbamodithioate

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CN2CCC3=CSC=C3)C(=O)CNC(=O)/C=C\C4=CC=CO4

DOS

IR

Vibrations