Geometry & MOs

Info

ID:	46768
PubChem CID:	10527123
Reduced:	O3N5H23C25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	441.226371
ΔH_f, kcal/mol:	-37.6
Dipole, Da:	3.6
IP(EA), eV:	-8.42(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[[2-[N-(3,3-dimethylbutyl)-2-hydroxyanilino]-2-oxoethyl]carbamoylamino]phenyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=N1)NC(=O)N(C2=O)C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations