Geometry & MOs

Info

ID:	224074
PubChem CID:	85337873
Reduced:	OC9H15 (4)
Stoich.:	AB9C15 (4)
Weight, g/mol:	557.263819
ΔH_f, kcal/mol:	-284.5
Dipole, Da:	2.52
IP(EA), eV:	-9.27(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-[(4-carbamimidoyl-3-methoxyphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCCC(=O)OC)C)C)C(C)C

DOS

IR

Vibrations