Geometry & MOs

Info

ID:	150501
PubChem CID:	53790193
Reduced:	PN2O7C16H23 (1)
Stoich.:	AB2C7D16E23 (1)
Weight, g/mol:	509.321334
ΔH_f, kcal/mol:	-333.46
Dipole, Da:	4.22
IP(EA), eV:	-9.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-4-[(2R)-2-[[(2S)-3-carbamimidoyl-2-hydroxycyclohexyl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(2-propylpentanoylamino)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C=C(CCOC(=O)C1=CC=CC=C1)CP(=O)(O)O)(N)N

DOS

IR

Vibrations