Geometry & MOs

Info

ID:	446323
PubChem CID:	135274071
Reduced:	N2H30C43 (1)
Stoich.:	A2B30C43 (1)
Weight, g/mol:	144.060886
ΔH_f, kcal/mol:	167.86
Dipole, Da:	4.75
IP(EA), eV:	-7.89(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(E)-pent-2-enyl] ethanethioate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC3=C2C(=CC=C3)C4=C1C=C5C(=C4)C6=CC=CC=C6N5C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C

DOS

IR

Vibrations