Geometry & MOs

Info

ID:	182024
PubChem CID:	76830453
Reduced:	N5O6C25H35 (1)
Stoich.:	A5B6C25D35 (1)
Weight, g/mol:	636.376109
ΔH_f, kcal/mol:	-223.23
Dipole, Da:	4.35
IP(EA), eV:	-8.89(0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[N'-[8-acetamido-5-[(1-methoxy-1-oxo-6-phenylhexan-2-yl)carbamoyl]-7-oxo-9-(4-prop-2-enoxyphenyl)nonyl]carbamimidoyl]azanium

Drug info:

PubChemData

Smile

CC(=O)NC1CC2=CC=C(C=C2)OCC=CCC(NC(=O)C(CC1=O)CCCN=C(N)N)C(=O)OC

DOS

IR

Vibrations