Geometry & MOs

Info

ID:	214464
PubChem CID:	85083085
Reduced:	NS4O11C16H27 (1)
Stoich.:	AB4C11D16E27 (1)
Weight, g/mol:	537.250872
ΔH_f, kcal/mol:	-476.88
Dipole, Da:	4.04
IP(EA), eV:	-9.39(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-[[4-methyl-2-[[4-(3-morpholin-4-yl-3-oxoprop-1-enyl)phenyl]sulfonylamino]pentanoyl]amino]pentanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(C(C(C)OS(=O)(=O)C)OS(=O)(=O)C)OS(=O)(=O)C

DOS

IR

Vibrations