Geometry & MOs

Info

ID:	274876
PubChem CID:	103812171
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	256.124549
ΔH_f, kcal/mol:	-33.11
Dipole, Da:	4.33
IP(EA), eV:	-8.51(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NCC(=O)NCC(C2=CSC=C2)O

DOS

IR

Vibrations