Geometry & MOs

Info

ID:	135428
PubChem CID:	51870214
Reduced:	N3O3C27H37 (1)
Stoich.:	A3B3C27D37 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-149.84
Dipole, Da:	7.13
IP(EA), eV:	-8.65(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)[C@H]2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations