Geometry & MOs

Info

ID:	419747
PubChem CID:	135108934
Reduced:	SN5O6C30H39 (1)
Stoich.:	AB5C6D30E39 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-218.3
Dipole, Da:	8.98
IP(EA), eV:	-9.45(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-3-oxopropyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)C2=CC=C(S2)C(=O)C)CC3=CC=CC=C3)C)C(C)C

DOS

IR

Vibrations