Geometry & MOs

Info

ID:	230128
PubChem CID:	87570270
Reduced:	SCl2O2N5C24H29 (1)
Stoich.:	AB2C2D5E24F29 (1)
Weight, g/mol:	120.034193
ΔH_f, kcal/mol:	-23.77
Dipole, Da:	3.76
IP(EA), eV:	-8.75(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-chloropent-1-en-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)NC(C3=CSC=C3)C(=O)CC#N)Cl)Cl

DOS

IR

Vibrations