Geometry & MOs

Info

ID:	73676
PubChem CID:	48419778
Reduced:	SN2O5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	361.94914
ΔH_f, kcal/mol:	-86.88
Dipole, Da:	3.95
IP(EA), eV:	-8.68(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromothiophen-2-yl)methyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCCNC(=O)CS(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations