Geometry & MOs

Info

ID:	336864
PubChem CID:	127255871
Reduced:	ClSiN2O3C25H33 (1)
Stoich.:	ABC2D3E25F33 (1)
Weight, g/mol:	443.09435
ΔH_f, kcal/mol:	-141.02
Dipole, Da:	5.09
IP(EA), eV:	-8.87(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-bromobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]([C@H]1CCC(=N1)CC2=CC=C(C=C2)C(=O)OC)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations