Geometry & MOs

Info

ID:	75332
PubChem CID:	48423338
Reduced:	BrSN2O3C16H17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	317.00851
ΔH_f, kcal/mol:	-78.19
Dipole, Da:	2.98
IP(EA), eV:	-9.37(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CC=C(S2)Br

DOS

IR

Vibrations