Geometry & MOs

Info

ID:	138112
PubChem CID:	52315539
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	412.236208
ΔH_f, kcal/mol:	68.51
Dipole, Da:	23.37
IP(EA), eV:	-5.14(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[NH+]2CCC[C@H]2C3=NC(=NO3)C4=CC(=[NH+]C=C4)N5CCN(CC5)C(=O)C

DOS

IR

Vibrations