Geometry & MOs

Info

ID:	423480
PubChem CID:	135119573
Reduced:	O5N8C30H36 (1)
Stoich.:	A5B8C30D36 (1)
Weight, g/mol:	346.1021
ΔH_f, kcal/mol:	-89.66
Dipole, Da:	14.85
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC(=NN12)C(=O)N3CCOC4=C(C=CC(=C4)C5=NC=CN5CCNC(=O)[C@H](NC(=O)C3)C(C)C)OC)C

DOS

IR

Vibrations