Geometry & MOs

Info

ID:	240718
PubChem CID:	93617180
Reduced:	SO2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-64.45
Dipole, Da:	6.98
IP(EA), eV:	-9.08(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)CC(=O)N[C@@H]2CCCCNC2=O

DOS

IR

Vibrations