Geometry & MOs

Info

ID:	137820
PubChem CID:	52267705
Reduced:	SN4O4C16H23 (1)
Stoich.:	AB4C4D16E23 (1)
Weight, g/mol:	366.136176
ΔH_f, kcal/mol:	-66.61
Dipole, Da:	2.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.880801
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CSCC(=O)NC[C@H](C2=CC=CO2)[NH+](C)C

DOS

IR

Vibrations