Geometry & MOs

Info

ID:	214472
PubChem CID:	85083099
Reduced:	ClSiO10C23H39 (1)
Stoich.:	ABC10D23E39 (1)
Weight, g/mol:	538.271069
ΔH_f, kcal/mol:	-528.5
Dipole, Da:	5.05
IP(EA), eV:	-8.8(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[3-[(3-chlorophenyl)carbamoylamino]-5-cyclohexyl-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)CC(C3C4C(C(C(O4)OC3=O)Cl)OCOC)O)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations