Geometry & MOs

Info

ID:	169808
PubChem CID:	75152506
Reduced:	ClO4N5C37H58 (1)
Stoich.:	AB4C5D37E58 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-219.04
Dipole, Da:	4.73
IP(EA), eV:	-8.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamimidoylphenyl)-2-[4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(C2CC(N(C2)C(=O)C3CN(CC3C4=CC=C(C=C4)Cl)C(C)(C)C)C(=O)N5CCN(CC5)C)C(=O)C(C)(C)CO

DOS

IR

Vibrations