Geometry & MOs

Info

ID:	189152
PubChem CID:	77823743
Reduced:	N3O5C34H39 (1)
Stoich.:	A3B5C34D39 (1)
Weight, g/mol:	458.25292
ΔH_f, kcal/mol:	-118.69
Dipole, Da:	6.93
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylcarbamoylamino)-N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

COCCCN1C(=O)COC2=C1C=C(C=C2)N(C3CC3)C(=O)C4CNCCC4C5=CC=CC(=C5)C6=CC=C(C=C6)OC

DOS

IR

Vibrations