Geometry & MOs

Info

ID:	432041
PubChem CID:	135172173
Reduced:	SO2N6C25H40 (1)
Stoich.:	AB2C6D25E40 (1)
Weight, g/mol:	501.277361
ΔH_f, kcal/mol:	-55.63
Dipole, Da:	5.8
IP(EA), eV:	-8.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[bis(2-methylpropyl)amino]-3-[(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)amino]phenyl]pent-4-enoate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=NC(=NS2)N3CCN(CC3)C

DOS

IR

Vibrations