Geometry & MOs

Info

ID:	74209
PubChem CID:	48421588
Reduced:	OSN5C22H31 (1)
Stoich.:	ABC5D22E31 (1)
Weight, g/mol:	383.151492
ΔH_f, kcal/mol:	12.49
Dipole, Da:	4.57
IP(EA), eV:	-8.39(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4

DOS

IR

Vibrations