Geometry & MOs

Info

ID:	328541
PubChem CID:	126724375
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	463.247107
ΔH_f, kcal/mol:	-123.84
Dipole, Da:	5.36
IP(EA), eV:	-9.23(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-4-[[4-(2-cyanoethylamino)-4-oxobutanoyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=NC(=O)ON3

DOS

IR

Vibrations