Geometry & MOs

Info

ID:	38664
PubChem CID:	8137369
Reduced:	SN2O4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-157.29
Dipole, Da:	4.59
IP(EA), eV:	-8.66(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)O[C@H](C)C(=O)N(C)C)NC(=O)C2CC2)C

DOS

IR

Vibrations