Geometry & MOs

Info

ID:	204520
PubChem CID:	79976594
Reduced:	BrNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	369.98744
ΔH_f, kcal/mol:	-40.88
Dipole, Da:	4.31
IP(EA), eV:	-9.11(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C(C2=CC3=C(C=C2)N(C(=O)O3)CC)Br

DOS

IR

Vibrations