Geometry & MOs

Info

ID:	218480
PubChem CID:	85089517
Reduced:	O3N8C23H36 (1)
Stoich.:	A3B8C23D36 (1)
Weight, g/mol:	472.224323
ΔH_f, kcal/mol:	-118.39
Dipole, Da:	6.68
IP(EA), eV:	-8.29(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(methanesulfonamido)-3-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CNC2=CC=CC=C21)N

DOS

IR

Vibrations