Geometry & MOs

Info

ID:	291742
PubChem CID:	113464395
Reduced:	N2O2S2C11H18 (1)
Stoich.:	A2B2C2D11E18 (1)
Weight, g/mol:	230.178299
ΔH_f, kcal/mol:	-52.41
Dipole, Da:	3.91
IP(EA), eV:	-9.3(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-but-2-ynyl-4-phenylpentane-1,2-diamine

Drug info:

PubChemData

Smile

CC1CC1CNS(=O)(=O)C2=CC(=C(S2)CN)C

DOS

IR

Vibrations