Geometry & MOs

Info

ID:	425704
PubChem CID:	135127501
Reduced:	O2N3C35H35 (1)
Stoich.:	A2B3C35D35 (1)
Weight, g/mol:	399.353486
ΔH_f, kcal/mol:	182.97
Dipole, Da:	3.74
IP(EA), eV:	-9.16(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(5-methylheptan-3-yl) N-pentadecan-8-ylcarbamothioate

Drug info:

PubChemData

Smile

CCN(C(=C)/C=C(\C=C/C(C)C)/N1C(=O)C#CC2=CN=C3C=CC(=CC3=C21)/C=C/C(=C/C)/C=C\C=C)C(=O)C=C

DOS

IR

Vibrations