Geometry & MOs

Info

ID:	417197
PubChem CID:	135091625
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	403.123563
ΔH_f, kcal/mol:	2.12
Dipole, Da:	2.74
IP(EA), eV:	-8.66(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=C(C=N2)CN3C[C@H]4CC[C@@H]3CN(C4)C(=O)C)C

DOS

IR

Vibrations