Geometry & MOs

Info

ID:	297570
PubChem CID:	117622133
Reduced:	Cl2N6O7C29H38 (1)
Stoich.:	A2B6C7D29E38 (1)
Weight, g/mol:	129.061221
ΔH_f, kcal/mol:	-291.19
Dipole, Da:	4.15
IP(EA), eV:	-8.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(butan-2-ylideneamino)ethenethiol

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CC[C@H]([C@H](C1)NC(=O)OC(C)(C)C)NC2=NC=C3CN(C(=O)N(C3=N2)C)C4=C(C(=CC(=C4Cl)OC)OC)Cl

DOS

IR

Vibrations