Geometry & MOs

Info

ID:	206375
PubChem CID:	80240958
Reduced:	S2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	305.054421
ΔH_f, kcal/mol:	50.27
Dipole, Da:	5.59
IP(EA), eV:	-8.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-hydroxybut-1-ynyl)-N-[(4-methylthiophen-3-yl)methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC=C1CN2C(=NNC2=S)C(C)C

DOS

IR

Vibrations