Geometry & MOs

Info

ID:	235439
PubChem CID:	92708905
Reduced:	OSN2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	354.103814
ΔH_f, kcal/mol:	22.55
Dipole, Da:	4.14
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCNC(=O)C[C@@H](C2=CC=CS2)N3C=CC=C3

DOS

IR

Vibrations