Geometry & MOs

Info

ID:	305508
PubChem CID:	124957975
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	379.174336
ΔH_f, kcal/mol:	-53.36
Dipole, Da:	5.69
IP(EA), eV:	-8.49(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(6S)-4-(4-acetamidobenzoyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1)C(=O)N2CCCC[C@H]2C3=NC=C(O3)CC4=CC(=CC=C4)OC)C

DOS

IR

Vibrations