Geometry & MOs

Info

ID:	64568
PubChem CID:	29202943
Reduced:	N2S2O7C22H26 (1)
Stoich.:	A2B2C7D22E26 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-251.83
Dipole, Da:	9.16
IP(EA), eV:	-8.43(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN(C)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations